SCHEMBL2200532

SCHEMBL2200532

Cc1nn(-c2cccc(OC(F)(F)F)c2)c(C2CC2)c1C(=O)N1CCC(N2C[C@@H](C)[C@@H](O)C2)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
KMT2A Q03164 1/20 0.39
NOTUM Q6P988 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD11B1 P28845 1/20 0.38
MGLL Q99685 1/20 0.37
MAPK7 Q13164 4/20 0.37
CCKAR P32238 1/20 0.36
OPRM1 P35372 1/20 0.36
CACNA2D1 P54289 1/20 0.36
CSNK1E P49674 1/20 0.36
MAPT P10636 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2202438 1.00 SCN9A (0.40) SCN9ASCN10AKMT2ANOTUMKDM4E
SCHEMBL2200534 1.00 SCN9A (0.40) SCN9ASCN10AKMT2ANOTUMKDM4E
SCHEMBL2202431 1.00 SCN9A (0.40) SCN9ASCN10AKMT2ANOTUMKDM4E
SCHEMBL2200538 1.00 SCN9A (0.40) SCN9ASCN10AKMT2ANOTUMKDM4E
SCHEMBL2201986 0.92 KMT2A (0.48) SCN9ASCN10AKMT2ANOTUMKDM4E
SCHEMBL2201984 0.92 KMT2A (0.48) SCN9ASCN10AKMT2ANOTUMKDM4E
SCHEMBL2201989 0.92 KMT2A (0.48) SCN9ASCN10AKMT2ANOTUMKDM4E
SCHEMBL2201691 0.92 SCN9A (0.41) SCN9ASCN10AKMT2ANOTUMKDM4E
SCHEMBL2201966 0.89 SCN9A (0.40) SCN9ASCN10AKMT2ANOTUMHSD11B1
SCHEMBL2201426 0.89 SCN9A (0.40) SCN9ASCN10AKMT2ANOTUMHSD11B1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090029963-A1 PYRAZOL DERIVATIVES CCR1, CCR3, CCRL2 SCN9A 3692/4885SCN10A 3975/4885KMT2A 4057/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.